(4-nitrophenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (4-nitrophenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (4-nitrobenzyl) ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6/c1-17(2)14-8-5-12(9-15(14)19(23)24)16(20)25-10-11-3-6-13(7-4-11)18(21)22/h3-9H,10H2,1-2H3